#------------------------------------------------------------------------------
#$Date: 2018-06-20 18:18:31 +0300 (Wed, 20 Jun 2018) $
#$Revision: 208564 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/09/7230964.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7230964
loop_
_publ_author_name
'Wang, Xiuli'
'Bai, Xue'
'Lin, Hongyan'
'Sun, Junjun'
'Wang, Xiang'
'Liu, Guocheng'
_publ_section_title
;
 A series of new polyoxometalate-based metal--organic complexes with
 different rigid pyridyl-bis(triazole) ligands: assembly, structures and
 electrochemical properties
;
_journal_issue                   40
_journal_name_full               'RSC Advances'
_journal_page_first              22676
_journal_paper_doi               10.1039/C8RA03277G
_journal_volume                  8
_journal_year                    2018
_chemical_formula_sum            'C18 H40 Mo8 N14 Ni3 O40'
_chemical_formula_weight         2036.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-11 deposited with the CCDC.
2018-06-12 downloaded from the CCDC.
;
_cell_angle_alpha                94.4490(10)
_cell_angle_beta                 114.0790(10)
_cell_angle_gamma                95.0830(10)
_cell_formula_units_Z            1
_cell_length_a                   10.5650(7)
_cell_length_b                   11.4200(8)
_cell_length_c                   12.1260(8)
_cell_measurement_reflns_used    4898
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0948
_cell_measurement_theta_min      2.6037
_cell_volume                     1320.03(15)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker Smart Apex II'
_diffrn_measurement_method       'w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0122
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7580
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.094
_diffrn_reflns_theta_max         25.094
_diffrn_reflns_theta_min         1.854
_exptl_absorpt_coefficient_mu    2.994
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.562
_exptl_crystal_description       block
_exptl_crystal_F_000             986
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_refine_diff_density_max         1.061
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4668
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0214
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0213P)²+2.7800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0512
_refine_ls_wR_factor_ref         0.0529
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4265
_reflns_number_total             4668
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra03277g2.cif
_cod_data_source_block           5
_cod_database_code               7230964
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.600
_shelx_estimated_absorpt_t_max   0.630
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.00461(3) -0.03663(2) 0.81094(2) 0.01243(7) Uani 1 1 d . . . . .
Ni1 Ni 0.28440(4) 0.06250(4) 1.09190(4) 0.01615(10) Uani 1 1 d . . . . .
N1 N 0.1719(3) 0.1909(2) 1.0039(2) 0.0170(6) Uani 1 1 d . . . . .
N2 N 0.0550(3) 0.1505(2) 0.8973(2) 0.0161(6) Uani 1 1 d . . . . .
N3 N 0.0396(3) 0.3359(3) 0.9502(3) 0.0255(7) Uani 1 1 d . . . . .
N4 N 0.1950(3) 0.4940(3) 1.1355(3) 0.0326(8) Uani 1 1 d . . . . .
N5 N 0.2925(4) 0.5684(3) 1.2289(3) 0.0347(8) Uani 1 1 d . . . . .
N6 N 0.3760(3) 0.3954(3) 1.2193(3) 0.0281(7) Uani 1 1 d . . . . .
N7 N 0.7676(4) 0.6629(4) 1.5715(4) 0.0546(12) Uani 1 1 d . . . . .
O1 O -0.1555(2) -0.0556(2) 0.8162(2) 0.0202(5) Uani 1 1 d . . . . .
O1W O 0.4318(3) 0.1720(2) 1.2302(2) 0.0339(7) Uani 1 1 d . . . . .
H1WA H 0.5161 0.1619 1.2720 0.051 Uiso 1 1 d R U . . .
H1WB H 0.4351 0.2470 1.2343 0.051 Uiso 1 1 d R U . . .
O2 O -0.0624(2) 0.05290(19) 0.66403(19) 0.0157(5) Uani 1 1 d . . . . .
O2W O 0.3821(3) -0.0684(3) 1.1848(3) 0.0400(7) Uani 1 1 d . . . . .
H2WA H 0.3915 -0.0656 1.2581 0.060 Uiso 1 1 d R U . . .
H2WB H 0.3804 -0.1392 1.1564 0.060 Uiso 1 1 d R U . . .
O3 O 0.1784(2) -0.0017(2) 0.75378(19) 0.0167(5) Uani 1 1 d . . . . .
O3W O 0.3915(3) 0.0647(2) 0.9819(2) 0.0261(6) Uani 1 1 d . . . . .
H3WA H 0.3317 0.0444 0.9089 0.039 Uiso 1 1 d R U . . .
H3WB H 0.4375 0.1202 0.9653 0.039 Uiso 1 1 d R U . . .
O4 O 0.1664(3) 0.2336(2) 0.6956(2) 0.0286(6) Uani 1 1 d . . . . .
O4WA O 0.4634(12) -0.2499(8) 1.0657(8) 0.090(3) Uani 0.5 1 d . U P A 2
H4WC H 0.5027 -0.2978 1.1154 0.134 Uiso 0.5 1 d R U P A 2
H4WD H 0.3914 -0.2869 1.0065 0.134 Uiso 0.5 1 d R U P A 2
O4W O 0.3302(10) -0.2746(6) 1.0752(7) 0.075(3) Uani 0.5 1 d . . P B 1
H4WA H 0.3859 -0.3054 1.0507 0.113 Uiso 0.5 1 d R U P B 1
H4WB H 0.3354 -0.3098 1.1359 0.113 Uiso 0.5 1 d R U P B 1
O5 O 0.2380(2) 0.0738(2) 0.5612(2) 0.0214(5) Uani 1 1 d . . . . .
O5W O 0.1593(10) 0.4727(8) 0.7376(8) 0.078(2) Uani 0.5 1 d . U P C 1
H5WA H 0.2312 0.4382 0.7506 0.117 Uiso 0.5 1 d R U P C 1
H5WB H 0.0908 0.4219 0.7285 0.117 Uiso 0.5 1 d R U P C 1
O5WA O 0.0473(11) 0.4530(9) 0.6865(9) 0.093(3) Uani 0.5 1 d . U P D 2
H5WC H 0.0404 0.5174 0.7226 0.140 Uiso 0.5 1 d R U P D 2
H5WD H 0.0825 0.4684 0.6367 0.140 Uiso 0.5 1 d R U P D 2
O6W O 0.0858(4) 0.5849(3) 0.8946(3) 0.0570(9) Uani 1 1 d . . . . .
H6WA H 0.1565 0.6374 0.9307 0.085 Uiso 1 1 d R U . . .
H6WB H 0.1194 0.5527 0.8487 0.085 Uiso 1 1 d R U . . .
O6 O -0.0039(2) -0.1806(2) 0.7218(2) 0.0179(5) Uani 1 1 d . . . . .
O7 O 0.2783(3) -0.2209(3) 0.8287(2) 0.0348(7) Uani 1 1 d . . . . .
O7WA O 0.3822(16) 0.4488(11) 0.8799(12) 0.145(5) Uani 0.5 1 d . U P E 2
H7WA H 0.3679 0.5083 0.9179 0.217 Uiso 0.5 1 d R U P E 2
H7WB H 0.4536 0.4248 0.9326 0.217 Uiso 0.5 1 d R U P E 2
O7W O 0.4550(16) 0.3211(13) 0.9704(15) 0.159(5) Uani 0.5 1 d . U P F 1
H7WC H 0.4790 0.3902 1.0097 0.239 Uiso 0.5 1 d R U P F 1
H7WD H 0.3761 0.3245 0.9124 0.239 Uiso 0.5 1 d R U P F 1
O8 O 0.1273(2) -0.05316(19) 0.9548(2) 0.0177(5) Uani 1 1 d . . . . .
O9 O 0.0445(2) -0.10703(19) 0.52371(19) 0.0152(5) Uani 1 1 d . . . . .
O10 O 0.1004(3) -0.3325(2) 0.6067(3) 0.0342(7) Uani 1 1 d . . . . .
O11 O 0.1793(3) -0.2574(3) 0.4015(2) 0.0404(7) Uani 1 1 d . . . . .
O12 O 0.3532(3) -0.0625(3) 0.4266(3) 0.0433(8) Uani 1 1 d . . . . .
O13 O 0.3007(2) -0.1411(2) 0.6301(2) 0.0232(5) Uani 1 1 d . . . . .
C1 C -0.0204(4) 0.2397(3) 0.8703(3) 0.0223(8) Uani 1 1 d . . . . .
H1 H -0.1056 0.2352 0.8030 0.027 Uiso 1 1 calc R U . . .
C2 C 0.1591(4) 0.3020(3) 1.0311(3) 0.0206(7) Uani 1 1 d . . . . .
C3 C 0.2479(4) 0.3928(3) 1.1313(3) 0.0245(8) Uani 1 1 d . . . . .
C4 C 0.3993(4) 0.5067(3) 1.2779(3) 0.0297(9) Uani 1 1 d . . . . .
C5 C 0.5283(4) 0.5591(3) 1.3814(4) 0.0319(9) Uani 1 1 d . . . . .
C6 C 0.5368(5) 0.6730(4) 1.4378(4) 0.0374(10) Uani 1 1 d . . . . .
H6 H 0.4602 0.7147 1.4108 0.045 Uiso 1 1 calc R U . . .
C7 C 0.6585(5) 0.7224(4) 1.5326(4) 0.0437(12) Uani 1 1 d . . . . .
H7A H 0.6651 0.7982 1.5702 0.052 Uiso 1 1 calc R U . . .
C8 C 0.7630(5) 0.5536(6) 1.5226(5) 0.0663(17) Uani 1 1 d . . . . .
H8 H 0.8410 0.5139 1.5535 0.080 Uiso 1 1 calc R U . . .
C9 C 0.6434(5) 0.4988(4) 1.4264(5) 0.0513(13) Uani 1 1 d . . . . .
H9 H 0.6398 0.4222 1.3921 0.062 Uiso 1 1 calc R U . . .
Mo2 Mo 0.16523(3) -0.19586(3) 0.68851(3) 0.01793(8) Uani 1 1 d . . . . .
Ni2 Ni 0.0000 0.5000 1.0000 0.02515(16) Uani 1 2 d S . P . .
Mo3 Mo 0.11746(3) 0.09387(2) 0.62297(2) 0.01407(7) Uani 1 1 d . . . . .
Mo4 Mo 0.21970(3) -0.11251(3) 0.46102(3) 0.02026(8) Uani 1 1 d . . . . .
H7 H 0.848(7) 0.704(6) 1.624(6) 0.08(2) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Mo1 O8 106.48(11) . .
O1 Mo1 O6 100.11(11) . .
O8 Mo1 O6 101.77(10) . .
O1 Mo1 O2 94.02(10) . .
O8 Mo1 O2 150.79(10) . .
O6 Mo1 O2 94.64(9) . .
O1 Mo1 N2 93.74(11) . .
O8 Mo1 N2 80.00(10) . .
O6 Mo1 N2 164.81(10) . .
O2 Mo1 N2 78.07(9) . .
O1 Mo1 O3 164.61(10) . .
O8 Mo1 O3 88.87(10) . .
O6 Mo1 O3 77.14(9) . .
O2 Mo1 O3 71.31(8) . .
N2 Mo1 O3 87.85(9) . .
O1W Ni1 O2W 84.63(12) . .
O1W Ni1 N1 96.61(11) . .
O2W Ni1 N1 174.69(12) . .
O1W Ni1 O8 177.04(11) . .
O2W Ni1 O8 94.41(11) . .
N1 Ni1 O8 84.09(10) . .
O1W Ni1 O3W 95.18(11) . .
O2W Ni1 O3W 94.63(11) . .
N1 Ni1 O3W 90.41(10) . .
O8 Ni1 O3W 87.69(10) . .
O1W Ni1 O1 90.85(11) . 2_557
O2W Ni1 O1 88.79(11) . 2_557
N1 Ni1 O1 86.03(10) . 2_557
O8 Ni1 O1 86.33(9) . 2_557
O3W Ni1 O1 173.32(10) . 2_557
C2 N1 N2 105.2(3) . .
C2 N1 Ni1 137.2(2) . .
N2 N1 Ni1 115.6(2) . .
C1 N2 N1 106.5(3) . .
C1 N2 Mo1 130.0(2) . .
N1 N2 Mo1 123.13(19) . .
C1 N3 C2 103.4(3) . .
C1 N3 Ni2 141.5(2) . .
C2 N3 Ni2 114.4(2) . .
C3 N4 N5 107.3(3) . .
C3 N4 Ni2 115.4(2) . .
N5 N4 Ni2 137.3(2) . .
C4 N5 N4 105.1(3) . .
C3 N6 C4 101.8(3) . .
C7 N7 C8 122.2(4) . .
Mo1 O1 Ni1 152.92(14) . 2_557
Mo4 O2 Mo1 147.33(12) 2_556 .
Mo4 O2 Mo3 106.53(10) 2_556 .
Mo1 O2 Mo3 106.06(9) . .
Mo3 O3 Mo1 107.88(10) . .
Mo3 O3 Mo2 112.87(10) . .
Mo1 O3 Mo2 92.65(8) . .
Mo3 O5 Mo4 116.66(12) . .
Mo1 O6 Mo2 114.04(11) . .
Mo1 O8 Ni1 133.33(12) . .
Mo3 O9 Mo2 153.53(12) 2_556 .
Mo3 O9 Mo4 103.80(9) 2_556 .
Mo2 O9 Mo4 90.94(8) . .
Mo3 O9 Mo3 103.38(9) 2_556 .
Mo2 O9 Mo3 96.79(8) . .
Mo4 O9 Mo3 95.57(8) . .
Mo2 O13 Mo4 113.86(12) . .
N3 C1 N2 112.3(3) . .
N1 C2 N3 112.5(3) . .
N1 C2 C3 132.1(3) . .
N3 C2 C3 115.3(3) . .
N6 C3 N4 112.6(3) . .
N6 C3 C2 131.9(3) . .
N4 C3 C2 115.4(3) . .
N5 C4 N6 113.2(3) . .
N5 C4 C5 121.5(3) . .
N6 C4 C5 125.3(4) . .
C9 C5 C6 118.5(4) . .
C9 C5 C4 121.7(4) . .
C6 C5 C4 119.7(4) . .
C7 C6 C5 119.4(4) . .
N7 C7 C6 120.4(4) . .
N7 C8 C9 120.3(5) . .
C8 C9 C5 119.2(5) . .
O7 Mo2 O10 105.41(14) . .
O7 Mo2 O13 97.93(12) . .
O10 Mo2 O13 101.90(12) . .
O7 Mo2 O6 99.02(11) . .
O10 Mo2 O6 93.92(12) . .
O13 Mo2 O6 152.78(10) . .
O7 Mo2 O9 163.09(12) . .
O10 Mo2 O9 91.19(11) . .
O13 Mo2 O9 75.06(9) . .
O6 Mo2 O9 82.68(9) . .
O7 Mo2 O3 91.65(11) . .
O10 Mo2 O3 160.45(11) . .
O13 Mo2 O3 84.74(9) . .
O6 Mo2 O3 73.65(8) . .
O9 Mo2 O3 72.58(8) . .
N3 Ni2 N3 180.0 2_567 .
N3 Ni2 N4 100.97(12) 2_567 .
N3 Ni2 N4 79.03(12) . .
N3 Ni2 N4 79.03(12) 2_567 2_567
N3 Ni2 N4 100.97(12) . 2_567
N4 Ni2 N4 180.0 . 2_567
N3 Ni2 O6W 86.68(13) 2_567 .
N3 Ni2 O6W 93.32(13) . .
N4 Ni2 O6W 91.80(15) . .
N4 Ni2 O6W 88.20(15) 2_567 .
N3 Ni2 O6W 93.32(13) 2_567 2_567
N3 Ni2 O6W 86.68(13) . 2_567
N4 Ni2 O6W 88.20(15) . 2_567
N4 Ni2 O6W 91.80(15) 2_567 2_567
O6W Ni2 O6W 180.0 . 2_567
O4 Mo3 O5 104.32(12) . .
O4 Mo3 O3 103.20(11) . .
O5 Mo3 O3 101.12(10) . .
O4 Mo3 O9 103.79(11) . 2_556
O5 Mo3 O9 99.49(10) . 2_556
O3 Mo3 O9 140.52(10) . 2_556
O4 Mo3 O2 97.05(11) . .
O5 Mo3 O2 158.61(10) . .
O3 Mo3 O2 74.44(9) . .
O9 Mo3 O2 74.11(9) 2_556 .
O4 Mo3 O9 178.18(10) . .
O5 Mo3 O9 77.31(10) . .
O3 Mo3 O9 75.60(8) . .
O9 Mo3 O9 76.62(9) 2_556 .
O2 Mo3 O9 81.34(8) . .
O12 Mo4 O11 104.01(16) . .
O12 Mo4 O13 107.25(12) . .
O11 Mo4 O13 95.92(12) . .
O12 Mo4 O2 101.21(12) . 2_556
O11 Mo4 O2 97.78(12) . 2_556
O13 Mo4 O2 144.22(9) . 2_556
O12 Mo4 O9 158.93(13) . .
O11 Mo4 O9 96.60(12) . .
O13 Mo4 O9 74.37(9) . .
O2 Mo4 O9 71.33(8) 2_556 .
O12 Mo4 O5 89.21(13) . .
O11 Mo4 O5 166.68(12) . .
O13 Mo4 O5 78.29(9) . .
O2 Mo4 O5 80.92(9) 2_556 .
O9 Mo4 O5 70.35(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O1 1.714(2) .
Mo1 O8 1.735(2) .
Mo1 O6 1.870(2) .
Mo1 O2 2.025(2) .
Mo1 N2 2.224(3) .
Mo1 O3 2.227(2) .
Ni1 O1W 2.000(3) .
Ni1 O2W 2.039(3) .
Ni1 N1 2.054(3) .
Ni1 O8 2.069(2) .
Ni1 O3W 2.072(2) .
Ni1 O1 2.082(2) 2_557
N1 C2 1.318(4) .
N1 N2 1.383(4) .
N2 C1 1.327(4) .
N3 C1 1.326(4) .
N3 C2 1.358(4) .
N3 Ni2 2.055(3) .
N4 C3 1.335(5) .
N4 N5 1.345(4) .
N4 Ni2 2.057(3) .
N5 C4 1.335(5) .
N6 C3 1.334(5) .
N6 C4 1.358(5) .
N7 C7 1.325(7) .
N7 C8 1.328(7) .
O1 Ni1 2.082(2) 2_557
O2 Mo4 1.957(2) 2_556
O2 Mo3 2.175(2) .
O3 Mo3 1.919(2) .
O3 Mo2 2.268(2) .
O4 Mo3 1.689(2) .
O5 Mo3 1.743(2) .
O5 Mo4 2.319(2) .
O6W Ni2 2.092(3) .
O6 Mo2 2.005(2) .
O7 Mo2 1.697(3) .
O9 Mo3 1.928(2) 2_556
O9 Mo2 2.261(2) .
O9 Mo4 2.274(2) .
O9 Mo3 2.410(2) .
O10 Mo2 1.705(3) .
O11 Mo4 1.696(3) .
O12 Mo4 1.693(3) .
O13 Mo2 1.918(2) .
O13 Mo4 1.940(2) .
C2 C3 1.460(5) .
C4 C5 1.460(5) .
C5 C9 1.384(6) .
C5 C6 1.400(6) .
C6 C7 1.363(6) .
C8 C9 1.376(6) .
Ni2 N3 2.055(3) 2_567
Ni2 N4 2.057(3) 2_567
Ni2 O6W 2.092(3) 2_567
Mo3 O9 1.928(2) 2_556
Mo4 O2 1.957(2) 2_556
